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2-Butanone, 4-[2-(acetyloxy)decahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID 1MfiN2ndD9Y
InChI InChI=1S/C20H34O3/c1-14(21)8-9-17-19(5)12-7-11-18(3,4)16(19)10-13-20(17,6)23-15(2)22/h16-17H,7-13H2,1-6H3/t16-,17-,19-,20-/m1/s1
InChIKey DBPDYRZJMFCUDZ-HNBVOPMISA-N
Mol Weight 322.5 g/mol
Molecular Formula C20H34O3
Exact Mass 322.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeHcPU1G2JE
Name 2-Butanone, 4-[2-(acetyloxy)decahydro-2,5,5,8a-tetramethyl-1-naphthalenyl]-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
Alternate Name(s) (1R,2R,4aR,8aR)-2,5,5,8a-tetramethyl-1-(3-oxobutyl)decahydro-2-naphthalenyl acetate 8.alpha.-acetoxy-14,15-dinorlabdan-13-one
CAS Registry Number 80098-20-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34O3
InChI InChI=1S/C20H34O3/c1-14(21)8-9-17-19(5)12-7-11-18(3,4)16(19)10-13-20(17,6)23-15(2)22/h16-17H,7-13H2,1-6H3/t16-,17-,19-,20-/m1/s1
InChIKey DBPDYRZJMFCUDZ-HNBVOPMISA-N
Molecular Weight 322.489 g/mol
SMILES [C@]12([C@]([C@@](OC(=O)C)(C)CC[C@@]2(C(C)(C)CCC1)[H])(CCC(=O)C)[H])C
SPLASH splash10-0007-9340000000-465406012d7b7fbf0902
Source of Spectrum B-34-1276-0
Wiley ID 1322021